Gentisylquinone
2-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione
Also Known As: gentisylquinone|Gentisinchinon|Gentisinquinone|2-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione|2-(Hydroxymethyl)-p-benzoquinone|p-Benzoquinone, 2-(hydroxymethyl)-|alpha-Hydroxy-p-toluquinone|2-(hydroxymethyl)-1,4-benzoquinone|2-Hydroxymethyl-p-benzoquinone|hydroxymethyl-1,4-benzoquinone|MTRBCJLZPRDOGJ-UHFFFAOYSA|MTRBCJLZPRDOGJ-UHFFFAOYSA-|2- -2,5-cyclohexadiene-1,4-dione|2-(Hydroxymethyl)-2,5-cyclohexadiene-1,4-dione|3-08-00-02080 (Beilstein Handbook Reference)|2-Hydroxymethyl-2,5-cyclohexadiene-1,4-dione|2,5-Cyclohexadiene-1,4-dione, 2-(hydroxymethyl)-
| Molecular Formula | C7H6O3 |
|---|---|
| Molecular Weight | 138.0317 g/mol |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.0317 |
| Monoisotopic Mass | 138.0317 |
| Heavy Atoms | 10 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 644-17-7 |
|---|---|
| SMILES | C1=CC(=O)C(=CC1=O)CO |
| InChIKey | MTRBCJLZPRDOGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Gentisylquinone (CAS 644-17-7), with molecular formula C7H6O3 and molecular weight 138.0317 g/mol. IUPAC: 2-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione.